Halocyamine B
Basic information
- CAS
122548-04-3- Standard SMILES
C[C@@H](O)[C@H](N)C(=O)N(C(=O)[C@H](Cc1cnc[nH]1)N/C=C\c1c[nH]c2cc(Br)ccc12)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1- InChIKey
BKVOSGATHVEBKD-QAUSRGLSSA-N- Molecular formula
- C29H32BrN7O6
- Average molar mass
- 654.5 g/mol
- Monoisotopic mass
- 653.15974
Overview
halocyamine B has been reported in Halocynthia roretzi with data available.
Names & identifiers
- Preferred name
- Halocyamine B
- IUPAC
- (2S,3R)-2-amino-N-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]-N-[(2S)-2-[[(Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]amino]-3-(1H-imidazol-5-yl)propanoyl]-3-hydroxybutanamide
- English name
- halocyamine B
- Molecular formula
- C29H32BrN7O6
- Molecular weight
- 654.51
Names & synonyms
Halocyamine B122548-04-3(2S,3R)-2-amino-N-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]-N-[(2S)-2-[[(Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]amino]-3-(1H-imidazol-5-yl)propanoyl]-3-hydroxybutanamideThreonyl-6,7-dihydroxyphenylalanyl-histidyl-6-bromo-8,9-didehydrotryptamine(2S,3R)-2-amino-N-((2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl)-N-((2S)-2-(((Z)-2-(6-bromo-1H-indol-3-yl)ethenyl)amino)-3-(1H-imidazol-5-yl)propanoyl)-3-hydroxybutanamideRefChem:1450862-amino-N-(1-((1-(((Z)-2-(6-bromo-1H-indol-3-yl)ethenyl)amino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl)amino)-3-(3,4-dihydroxyphenyl)-1-oxopropan-2-yl)-3-hydroxybutanamideL-Histidinamide, L-threonyl-3-hydroxy-L-tyrosyl-N-((1Z)-2-(6-bromo-1H-indol-3-yl)ethenyl)-L-Histidinamide, L-threonyl-3-hydroxy-L-tyrosyl-N-(2-(6-bromo-1H-indol-3-yl)ethenyl)-, (Z)-L-Histidinamide, L-threonyl-3-hydroxy-L-tyrosyl-N-[(1Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]- (9CI)
Database identifiers
- CAS
122548-04-3
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 224 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,010
Chemistry & industry
Applications
DescriptionHalocyamine B is an antibiotic peptide isolated from Halocynthia roretzi.
UsesHalocyamine B exhibits antimicrobial activity against a variety of bacteria and yeasts. Halocyamine B exhibits cytotoxicity to cultured neural cells of rat fetal brain, mouse neuroblastoma N18 cells, and human hepatoma HepG2 cells[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…